2023
DOI: 10.26565/2312-4334-2023-3-45
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Ab-Initio Study of Structural, Electronic and Optical Properties of ZnX (X = Te, S and O): Application to Photovoltaic Solar Cells

Faiza Benlakhdar,
Idris Bouchama,
Tayeb Chihi
et al.

Abstract: The purpose of this research is to investigate the structural, electronic, and optical properties of ZnX compounds, particularly those with X = Te, S, and O, which have direct bandgaps that make them optically active. To gain a better understanding of these compounds and their related properties, we conducted detailed calculations using density functional theory (DFT) and the CASTEP program, which uses the generalized gradient approximation (GGA) to estimate the cross-correlation function. Our results for latt… Show more

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